N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

C24H26N2O7 — CID 71506124

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C24H26N2O7/c1-6-9-26-16-12-20(33-5)19(32-4)11-15(16)22(27)21(24(26)29)23(28)25-13-14-7-8-17(30-2)18(10-14)31-3/h6-8,10-12,27H,1,9,13H2,2-5H3,(H,25,28)
InChIKeyRIQBUFPURSPDII-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.86
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 71506124) has the molecular formula C24H26N2O7 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID71506124
Molecular FormulaC24H26N2O7
Molecular Weight454.48 g/mol
Exact Mass454.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C24H26N2O7/c1-6-9-26-16-12-20(33-5)19(32-4)11-15(16)22(27)21(24(26)29)23(28)25-13-14-7-8-17(30-2)18(10-14)31-3/h6-8,10-12,27H,1,9,13H2,2-5H3,(H,25,28)
InChIKeyRIQBUFPURSPDII-UHFFFAOYSA-N
XLogP2.86
TPSA108.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 71506124) is N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(O)c2cc(OC)c(OC)cc21.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is RIQBUFPURSPDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7/c1-6-9-26-16-12-20(33-5)19(32-4)11-15(16)22(27)21(24(26)29)23(28)25-13-14-7-8-17(30-2)18(10-14)31-3/h6-8,10-12,27H,1,9,13H2,2-5H3,(H,25,28).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 71506124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).